(S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid
- Product Name
- (S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid
- CAS No.
- 154212-61-0
- Chemical Name
- (S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid
- Synonyms
- MTV;MTV-III;Ureidovaline;N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine;N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine;]-4-thiazoL;-N-[(2-isopropyL;Ritonavir EP IMP A;Ritonavir EP Impurity 22;Ritonavir EP Impurity A(BP Impurity A)
- CBNumber
- CB9854932
- Molecular Formula
- C14H23N3O3S
- Formula Weight
- 313.42
- MOL File
- 154212-61-0.mol
(S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid Property
- Boiling point:
- 532.6±40.0 °C(Predicted)
- Density
- 1.193
- storage temp.
- 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.39±0.10(Predicted)
- color
- Light Yellow to Beige
- InChI
- InChI=1S/C14H23N3O3S/c1-8(2)11(13(18)19)16-14(20)17(5)6-10-7-21-12(15-10)9(3)4/h7-9,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m0/s1
- InChIKey
- OSQWRZICKAOBFA-NSHDSACASA-N
- SMILES
- C(O)(=O)[C@H](C(C)C)NC(N(C)CC1=CSC(C(C)C)=N1)=O
- CAS DataBase Reference
- 154212-61-0(CAS DataBase Reference)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
N-Bromosuccinimide Price
- Product number
- M314850
- Product name
- N-[[N-Methyl-N-[(2-isopropyl]-4-thiazolyl)methyl)amino]carbonyl-L-valineCarboxylicAcid
- Packaging
- 50mg
- Price
- $155
- Updated
- 2021/12/16
- Product number
- AS38794
- Product name
- N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
- Purity
- 95%
- Packaging
- 1g
- Price
- $19
- Updated
- 2021/12/16
- Product number
- S031
- Product name
- N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
- Packaging
- 5g
- Price
- $37
- Updated
- 2021/12/16
- Product number
- J99144
- Product name
- N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
- Packaging
- 10g
- Price
- $45
- Updated
- 2021/12/16
- Product number
- AS38794
- Product name
- N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
- Purity
- 95%
- Packaging
- 5G
- Price
- $46
- Updated
- 2021/12/16
(S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid Chemical Properties,Usage,Production
Chemical Properties
Light Yellow Oil
Uses
N-[[N-Methyl-N-[(2-isopropyl]-4-thiazolyl)methyl)amino]carbonyl-L-valine Carboxylic Acid (Ritonavir EP Impurity A) is an intermediate in the synthesis of Ritonavir.
Synthesis
154248-99-4
154212-61-0
The general procedure for the synthesis of (S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid from N-((N-methyl-N-((2-isopropylthiazol-4-yl)methyl)amino)formyl)-L-valine methyl ester was as follows: compound 28 was prepared by reference to the method used for the preparation of compound 6 in Scheme 4, except that compound 9 was substituted for compound 4 as the starting material. Compound 28 (0.757 g, 2.31 mmol) was dissolved in THF (9 mL), and a freshly prepared aqueous 1M LiOH solution (4.6 mL, 4.6 mmol) was slowly added at room temperature. After 1.5 h of reaction, 1M HCl aqueous solution (7 mL, 7 mmol) was added to neutralize the reaction solution. Subsequently, the reaction mixture was extracted several times with EtOAc (5 × 15 mL). All organic layers were combined and dried with anhydrous sodium sulfate.
References
[1] Patent: WO2008/10921, 2008, A2. Location in patent: Page/Page column 199-200
[2] Journal of Medicinal Chemistry, 1998, vol. 41, # 4, p. 602 - 617
[3] Patent: WO2006/90270, 2006, A1. Location in patent: Page/Page column 10
[4] Patent: US5484801, 1996, A
[5] Patent: US5559158, 1996, A
(S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid Preparation Products And Raw materials
Raw materials
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View Lastest Price from (S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid manufacturers
- Product
- (S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid 154212-61-0
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-26
- Product
- (S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid 154212-61-0
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 2000
- Release date
- 2025-04-15
- Product
- N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine 154212-61-0
- Price
- US $10.70/KG
- Min. Order
- 10KG
- Purity
- 99%
- Supply Ability
- 10000kg
- Release date
- 2024-08-20